(2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate

C20H19N3O4 — CID 135782994

IUPAC(2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate
SMILESO=C(COC(=O)CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1
InChIInChI=1S/C20H19N3O4/c24-18(21-14-7-2-1-3-8-14)13-27-19(25)12-6-11-17-22-16-10-5-4-9-15(16)20(26)23-17/h1-5,7-10H,6,11-13H2,(H,21,24)(H,22,23,26)
InChIKeyXERZNDVNPFKFPL-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.43
Rot. Bonds7

About (2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate

(2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate (PubChem CID 135782994) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate
PubChem CID135782994
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate
SMILESO=C(COC(=O)CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1
InChIInChI=1S/C20H19N3O4/c24-18(21-14-7-2-1-3-8-14)13-27-19(25)12-6-11-17-22-16-10-5-4-9-15(16)20(26)23-17/h1-5,7-10H,6,11-13H2,(H,21,24)(H,22,23,26)
InChIKeyXERZNDVNPFKFPL-UHFFFAOYSA-N
XLogP2.43
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782984
[2-(3-bromoanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135510202
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782918
[2-(3-acetylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831848
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135817011
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135562074
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135783007
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135738591
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831902
N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782954
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831892

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate?
The IUPAC name of (2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate (CID 135782994) is (2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate is O=C(COC(=O)CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate?
The InChIKey is XERZNDVNPFKFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-18(21-14-7-2-1-3-8-14)13-27-19(25)12-6-11-17-22-16-10-5-4-9-15(16)20(26)23-17/h1-5,7-10H,6,11-13H2,(H,21,24)(H,22,23,26).
What are the key properties of (2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate?
(2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate has a molecular weight of 365.39 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate is sourced from PubChem (CID 135782994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).